2-(6-methyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate

Systemtic Name: 2-(6-methyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Openeye Name: 2-(6-methyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]phenolate CAS Name: 2-(6-methyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]phenolate IUPAC Name: 2-(6-methyl-1,3-benzoxazol-2-yl)-4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]phenolate Traditional Name: 4-[(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-2-(6-methyl-1,3-benzoxazol-2-yl)phenolate Formula: C21H14N3O5- MolecularWeight: 388.35296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])[O-]

InChI

InChI=1S/C21H15N3O5/c1-12-2-5-17-20(8-12)29-21(23-17)16-10-14(3-6-19(16)26)22-11-13-9-15(24(27)28)4-7-18(13)25/h2-11,22,26H,1H3/p-1